SCHEMBL863531

SCHEMBL863531

Cc1c(F)ccc2cc([C@H](C)Nc3ncnc4c3ncn4COCC[Si](C)(C)C)c(NCCO)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
BRAF P15056 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
PIK3CD O00329 1/20 0.33
TMIGD3 P0DMS9 3/20 0.31
ADORA2A P29274 3/20 0.31
ADORA1 P30542 3/20 0.31
CDK1 P06493 2/20 0.31
EGFR P00533 1/20 0.31
NPC1 O15118 2/20 0.31
IDH1 O75874 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30
PDE5A O76074 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL863532 1.00 HTT (0.37) HTTBRAFPDE4APDE4BPDE4C
SCHEMBL863773 0.90 BRAF (0.36) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL863772 0.90 BRAF (0.36) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL864017 0.89 BRAF (0.34) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL864018 0.89 BRAF (0.34) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL864114 0.71 PIK3CD (0.36) CDK5PIK3CDCDK1NPC1RAB9A
SCHEMBL864113 0.71 PIK3CD (0.36) CDK5PIK3CDCDK1NPC1RAB9A
SCHEMBL22502460 0.69 PDE4A (0.53) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL29388517 0.69 PDE4A (0.53) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL15184804 0.69 ALDH1A1 (0.39) CDK5CDK5R1PIK3CDNPC1IDH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA HTT 2562/4885BRAF 24/4885PDE4A 819/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.